Geometry & MOs

Info

ID:

379724

PubChem CID:

134461314

Reduced:

FO2N8H17C25 (1)

Stoich.:

AB2C8D17E25 (1)

Weight, g/mol:

583.161343

ΔHf, kcal/mol:

96.19

Dipole, Da:

9.04

IP(EA), eV:

 -9.3(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[5-[5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC4=NN=C(O4)C5=CC(=C(C=C5)N6C=NC=N6)F

DOS

IR

Vibrations